Molecule card · MolClass #37844
17415148
17415148: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17415148Mitochondrial Fusion · compound_name
- MolClass ID
- 37844
- InChIKey
- JIOIWTLYQWYRTR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1(C))n2nnnc2Sc3nc(nn3(C))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C12H12N8O2S/c1-7-4-5-9(6-8(7)2)19-12(14-16-17-19)23-11-13-10(20(21)22)15-18(11)3/h4-6H,1-3H3
- Stored Murcko scaffold
- n1nc(Sc2ncn[nH]2)n(n1)-c3ccccc3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 142.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.343 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.958
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 17415148